For LiF, the comparison is made assuming the d-spacing of the (100) plane, so ($d_{100} = \frac{a}{\sqrt{1^2+0^2+0^2}} \approx 4.026 Å$), where $a$ is the lattice constant for LiF.
For NaCl, an FCC lattice, the comparison is made assuming the d-spacing of the (111) plane, which is the smallest plane, so ($d_{111} = \frac{a}{\sqrt{1^2+1^2+1^2}} = \frac{a}{\sqrt{3}} \approx 3.256 Å$), where $a$ is the lattice constant for NaCl.
Comparing with known d-spacing of 5.64 Å
| Predefined Angle | Fitted Angle | Amplitude | Sigma | Gamma | |
|---|---|---|---|---|---|
| 0 | 7.7 | 7.712368 | 63.271877 | 0.222469 | 0.063929 |
| 1 | 8.5 | 8.513609 | 318.460076 | 0.101672 | 0.259613 |
| 2 | 14.1 | 14.185799 | 8.236184 | 0.266300 | 0.000100 |
| 3 | 15.9 | 15.845718 | 38.000003 | 0.307529 | 0.029789 |
| 4 | 20.7 | 20.678310 | 2.019427 | 0.176116 | 0.000100 |
| 5 | 23.3 | 23.261042 | 27.822970 | 0.155351 | 0.150898 |
| 6 | 27.7 | 27.754329 | 21.769809 | 0.000100 | 0.675282 |
| 7 | 31.4 | 31.393098 | 35.484358 | 0.000100 | 0.345147 |
For LiF, the comparison is made assuming the d-spacing of the (100) plane, so ($d_{100} = \frac{a}{\sqrt{1^2+0^2+0^2}} \approx 4.026 Å$), where $a$ is the lattice constant for LiF.
For NaCl, an FCC lattice, the comparison is made assuming the d-spacing of the (111) plane, which is the smallest plane, so ($d_{111} = \frac{a}{\sqrt{1^2+1^2+1^2}} = \frac{a}{\sqrt{3}} \approx 3.256 Å$), where $a$ is the lattice constant for NaCl.
Comparing with known d-spacing of 4.03 Å
| Predefined Angle | Fitted Angle | Amplitude | Sigma | Gamma | |
|---|---|---|---|---|---|
| 0 | 11.1 | 11.106211 | 585.601800 | 0.000100 | 0.359277 |
| 1 | 12.3 | 12.266542 | 844.445408 | 0.206491 | 0.019250 |
| 2 | 20.4 | 20.401194 | 43.663521 | 0.231546 | 0.000100 |
| 3 | 22.8 | 22.761997 | 254.206441 | 0.116611 | 0.174515 |